CID 3059240

1,3-dimethyl-5-(2-pyridylmethyl)biuret

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CNC(=O)N(C)C(=O)NCC1=CC=CC=N1
InChI
InChI=1S/C10H14N4O2/c1-11-9(15)14(2)10(16)13-7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H,11,15)(H,13,16)
InChIKey
BMRFPTIDXRNSPQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.11168 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.118956 150.1
[M+Na]+ 245.100898 154.9
[M-H]- 221.104404 153.7
[M+NH4]+ 240.145503 166.6
[M+K]+ 261.074838 154.8
[M+H-H2O]+ 205.108940 141.8
[M+HCOO]- 267.109881 175.6
[M+CH3COO]- 281.125531 196.8
[M+Na-2H]- 243.086346 155.7
[M]+ 222.11113142 149.7
[M]- 222.11222858 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe